ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylimino]-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H25ClN2O5S2 MolecularWeight: 521.0487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H25ClN2O5S2/c1-3-31-22(29)15-27-19-12-7-16(23(30)32-4-2)14-20(19)34-24(27)26-21(28)6-5-13-33-18-10-8-17(25)9-11-18/h7-12,14H,3-6,13,15H2,1-2H3